F850-0445 Screening compound: 2-(4-benzyl-7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-cyclooctylacetamide

F850-0445 Screening compound: 2-(4-benzyl-7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-cyclooctylacetamide
F850-0445 Screening compound: 2-(4-benzyl-7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-cyclooctylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F850-0445
2-(4-benzyl-7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-cyclooctylacetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F850-0445

Molecular Formula

C25H31FN2O2 (C25 H31 FN2 O2)

Compound Name

2-(4-benzyl-7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-cyclooctylacetamide

IUPAC name

2-(4-benzyl-7-fluoro-34-dihydro-2H-14-benzoxazin-3-yl)-N-cyclooctylacetamide

SMILES

O=C(CC1N(Cc2ccccc2)c(ccc(F)c2)c2OC1)NC1CCCCCCC1

InChI

InChI=1S/C25H31FN2O2/c26-20-13-14-23-24(15-20)30-18-22(28(23)17-19-9-5-4-6-10-19)16-25(29)27-21-11-7-2-1-3-8-12-21/h4-6,9-10,13-15,21-22H,1-3,7-8,11-12,16-18H2,(H,27,29)/t22-/m1/s1

InChI Key

PGEYTEHHSMBVCV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27199794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.711

Distribution Coefficient, logD

5.711

Water Solubility, LogSw

-5.78

Polar Surface Area

34.973

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

F850-0445 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F850-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F850-0445?
Check Price and Availability of F850-0445, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F850-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F850-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F850-0445
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F850-0445 available by request